X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2FMCM_MD.F90;h=090a7d60003656b0952e632fbd11acf7d72788c4;hb=4db3a5f0b00eb4e0dc343054d4560d5e76f548f5;hp=eb07d69dc21c7be61d53ef0262c6955a921a7cbb;hpb=52d6371a0781ac6214af501666a2fbffbded3a40;p=unres4.git diff --git a/source/unres/MCM_MD.F90 b/source/unres/MCM_MD.F90 index eb07d69..090a7d6 100644 --- a/source/unres/MCM_MD.F90 +++ b/source/unres/MCM_MD.F90 @@ -344,9 +344,12 @@ real(kind=8),dimension(0:n_ene) :: energia,energia_ave !!! local variables -el - integer :: i,ii,kkk,it,j,nacc,nfun,ijunk,indmin,indmax,& + integer :: i,ii,kkk,it,j,nacc,ijunk,indmin,indmax,& ISWEEP,Kwita,iretcode,indeold,iene,noverlap,& irep,nstart_grow,inde +#ifndef LBFGS + integer :: nfun +#endif real(kind=8) :: facee,conste,ejunk,etot,rms,co,frac,& deix,dent,sold,scur,runtime ! @@ -1084,8 +1087,11 @@ real(kind=8),dimension(0:n_ene) :: energia,energia_ave ! !!! local variables - el - integer :: i,j,it,ii,iproc,nacc,ISWEEP,nfun,indmax,indmin,ijunk,& + integer :: i,j,it,ii,iproc,nacc,ISWEEP,indmax,indmin,ijunk,& Kwita,indeold,imdmax,inde,iretcode,nstart_grow,noverlap +#ifndef LBFGS + integer :: nfun +#endif real(kind=8) :: facee,conste,ejunk,etot,sold,frac,runtime,& frac_ave,rms_ave,etot_ave,scur,from_pool,co,rms